SCHEMBL5495871

SCHEMBL5495871

Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 1.00
NPC1 O15118 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 2/20 0.55
TYR P14679 1/20 0.55
ACHE P22303 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
BCHE P06276 2/20 0.47
KIF11 P52732 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD11B1 P28845 1/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL166690 1.00 TSHR (1.00) TSHRNPC1MAPTRAB9ALMNA
SCHEMBL24522303 0.91 TSHR (0.83) TSHRNPC1MAPTRAB9ALMNA
SCHEMBL19192713 0.91 TSHR (0.83) TSHRNPC1MAPTRAB9ALMNA
SCHEMBL24599236 0.91 TSHR (0.83) TSHRNPC1MAPTRAB9ALMNA
Ethane SCHEMBL28803106 0.89 TSHR (0.79) TSHRNPC1MAPTRAB9ALMNA
SCHEMBL2793711 0.89 TSHR (0.79) TSHRNPC1MAPTRAB9ALMNA
SCHEMBL24129902 0.87 TSHR (0.75) TSHRNPC1MAPTRAB9ALMNA
P-Cresol SCHEMBL8761754 0.87 LMNA (0.80) TSHRNPC1MAPTRAB9ALMNA
SCHEMBL424728 0.86 TSHR (0.73) TSHRNPC1MAPTRAB9ALMNA
SCHEMBL24703484 0.84 TSHR (0.71) TSHRNPC1MAPTRAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B TSHR 4176/4885NPC1 170/4885MAPT 4178/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B TSHR 4165/4885NPC1 178/4885MAPT 4124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.